SCHEMBL4589211

SCHEMBL4589211

COc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)C[C@@]3(C)CC[C@]21C=C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 2/20 0.38
KDM1A O60341 1/20 0.37
MAPT P10636 1/20 0.35
HSD17B1 P14061 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLA1 P09884 3/20 0.33
STS P08842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4589641 0.88 LMNA (0.39) LMNAHSD17B10ESR1KDM1AMAPT
SCHEMBL2215608 0.87 NR3C1 (0.40) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL6232274 0.80 ESR1 (0.37) LMNAHSD17B10ESR1KDM1AMAPT
SCHEMBL4588704 0.78 ESR1 (0.40) LMNAHSD17B10ESR1KDM1AMAPT
SCHEMBL3848400 0.75 STS (0.31) LMNAHSD17B10STS
SCHEMBL6232522 0.74 NR3C1 (0.41) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL6233082 0.74 NR3C1 (0.41) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL6232518 0.74 NR3C1 (0.41) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL4587411 0.74 NR3C1 (0.41) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL1829950 0.74 NR3C1 (0.41) LMNAHSD17B10ESR1MAPTRECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 US claimed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US claimed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 EP claimed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US claimed
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 US disclosed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US disclosed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 EP disclosed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESRRA, ESR2, ESR1 LMNA 1916/4885HSD17B10 222/4885ESR1 3/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 LMNA 1946/4885HSD17B10 123/4885ESR1 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.